2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one

C18H19N3O3 — CID 167837041

IUPAC2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one
SMILESCOc1ccc([C@@H]2OCC[C@H]2Nc2ccc3c(n2)CCC3=O)cn1
InChIInChI=1S/C18H19N3O3/c1-23-17-7-2-11(10-19-17)18-14(8-9-24-18)21-16-6-3-12-13(20-16)4-5-15(12)22/h2-3,6-7,10,14,18H,4-5,8-9H2,1H3,(H,20,21)/t14-,18+/m1/s1
InChIKeyMPSJOOPIESSMFL-KDOFPFPSSA-N
MW325.37 g/mol
LogP2.56
Rot. Bonds4

About 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one

2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one (PubChem CID 167837041) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one.

Molecular Properties

Compound Name2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one
PubChem CID167837041
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one
SMILESCOc1ccc([C@@H]2OCC[C@H]2Nc2ccc3c(n2)CCC3=O)cn1
InChIInChI=1S/C18H19N3O3/c1-23-17-7-2-11(10-19-17)18-14(8-9-24-18)21-16-6-3-12-13(20-16)4-5-15(12)22/h2-3,6-7,10,14,18H,4-5,8-9H2,1H3,(H,20,21)/t14-,18+/m1/s1
InChIKeyMPSJOOPIESSMFL-KDOFPFPSSA-N
XLogP2.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one with MolForge

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Related Compounds

3-ethyl-N-[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]pyridine-4-carboxamide
CID 120965701
5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine
CID 114939001
(2R,3S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(6-methoxy-3-pyridinyl)oxolan-3-amine
CID 167794228
N-[[2-(6-methoxy-3-pyridinyl)oxan-3-yl]methyl]cyclopropanamine
CID 114938990
4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 120916528
1-[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 126825331
7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one
CID 72846544
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690
5-fluoro-N-[(2S,3R)-2-phenyloxolan-3-yl]pyridin-2-amine
CID 124734601
4-(6-methoxy-3-pyridinyl)-1,3-oxazolidin-2-one
CID 114938799
6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid
CID 122054738
5-cyclopentyl-2-methoxypyridine
CID 102520175

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one?
The IUPAC name of 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one (CID 167837041) is 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one.
What is the SMILES notation for 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one?
The canonical SMILES for 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one is COc1ccc([C@@H]2OCC[C@H]2Nc2ccc3c(n2)CCC3=O)cn1.
What is the InChIKey of 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one?
The InChIKey is MPSJOOPIESSMFL-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-17-7-2-11(10-19-17)18-14(8-9-24-18)21-16-6-3-12-13(20-16)4-5-15(12)22/h2-3,6-7,10,14,18H,4-5,8-9H2,1H3,(H,20,21)/t14-,18+/m1/s1.
What are the key properties of 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one?
2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one has a molecular weight of 325.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one is sourced from PubChem (CID 167837041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).